CID 131302460

2-cyclopropyl-2-ethoxyethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
CCOC(CS(=O)(=O)Cl)C1CC1
InChI
InChI=1S/C7H13ClO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3
InChIKey
NEGTVBXNDXKLFT-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-ethoxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03467 138.1
[M+Na]+ 235.01661 147.2
[M-H]- 211.02011 142.7
[M+NH4]+ 230.06121 153.3
[M+K]+ 250.99055 143.8
[M+H-H2O]+ 195.02465 133.3
[M+HCOO]- 257.02559 150.8
[M+CH3COO]- 271.04124 184.9
[M+Na-2H]- 233.00206 141.3
[M]+ 212.02684 146.2
[M]- 212.02794 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.